2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide

C19H27N5O3S — CID 43047984

IUPAC2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C19H27N5O3S/c1-13(20-17(27)19(2,3)4)16(26)23-7-5-22(6-8-23)12-14-11-15(25)24-9-10-28-18(24)21-14/h9-11,13H,5-8,12H2,1-4H3,(H,20,27)
InChIKeyVSFRSMVNJRGSAL-UHFFFAOYSA-N
MW405.52 g/mol
LogP0.95
Rot. Bonds4

About 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide

2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide (PubChem CID 43047984) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide
PubChem CID43047984
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C19H27N5O3S/c1-13(20-17(27)19(2,3)4)16(26)23-7-5-22(6-8-23)12-14-11-15(25)24-9-10-28-18(24)21-14/h9-11,13H,5-8,12H2,1-4H3,(H,20,27)
InChIKeyVSFRSMVNJRGSAL-UHFFFAOYSA-N
XLogP0.95
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide (CID 43047984) is 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide is CC(NC(=O)C(C)(C)C)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide?
The InChIKey is VSFRSMVNJRGSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-13(20-17(27)19(2,3)4)16(26)23-7-5-22(6-8-23)12-14-11-15(25)24-9-10-28-18(24)21-14/h9-11,13H,5-8,12H2,1-4H3,(H,20,27).
What are the key properties of 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide?
2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide has a molecular weight of 405.52 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide is sourced from PubChem (CID 43047984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).